2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane

C9H13NOSSi — CID 174544142

IUPAC2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane
SMILESCOc1ncsc1C#C[Si](C)(C)C
InChIInChI=1S/C9H13NOSSi/c1-11-9-8(12-7-10-9)5-6-13(2,3)4/h7H,1-4H3
InChIKeyRNKYMDGZKSOKAM-UHFFFAOYSA-N
MW211.36 g/mol
LogP2.38
Rot. Bonds1

About 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane

2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane (PubChem CID 174544142) has the molecular formula C9H13NOSSi and a molecular weight of 211.36 g/mol. Its IUPAC name is 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane
PubChem CID174544142
Molecular FormulaC9H13NOSSi
Molecular Weight211.36 g/mol
Exact Mass211.05
IUPAC Name2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane
SMILESCOc1ncsc1C#C[Si](C)(C)C
InChIInChI=1S/C9H13NOSSi/c1-11-9-8(12-7-10-9)5-6-13(2,3)4/h7H,1-4H3
InChIKeyRNKYMDGZKSOKAM-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane
CID 59217971
1-(5-bromo-1,3-thiazol-4-yl)-2-[5-(2-trimethylsilylethynyl)-1,3-thiazol-4-yl]ethane-1,2-diol
CID 68599008
2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane
CID 5273945
2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
CID 11160666
2-(5-methoxypyrazin-2-yl)ethynyl-trimethylsilane
CID 90303128
trimethyl-[2-(1,3-thiazol-5-yl)ethynyl]silane
CID 67300093
2-[3-[6-(2-ethynylthiophen-3-yl)-3-methoxy-7-methylnaphthalen-2-yl]thiophen-2-yl]ethynyl-trimethylsilane
CID 160709866
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane
CID 139256605
4-methoxy-[1,3]thiazolo[4,5-d]triazine
CID 90715856
2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane
CID 141195498
5,7-dimethoxy-[1,3]thiazolo[4,5-d]pyrimidine
CID 138040801

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane (CID 174544142) is 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane is COc1ncsc1C#C[Si](C)(C)C.
What is the InChIKey of 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane?
The InChIKey is RNKYMDGZKSOKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOSSi/c1-11-9-8(12-7-10-9)5-6-13(2,3)4/h7H,1-4H3.
What are the key properties of 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane?
2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane has a molecular weight of 211.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,3-thiazol-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 174544142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).